Sorry, Hrachya Astsatryan, I have no idea in such case. Why not just try to install openmpi and fftw ahead by yourself before installing groamcs?
On Mon, Apr 8, 2013 at 4:06 PM, Hrachya Astsatryan <hr...@sci.am> wrote: > Dear Zhikun Cai, > > Thank you for your quick response. > > > On 4/8/13 11:15 AM, Zhikun Cai wrote: > > Hi, see installation instruction with CMAKE here: > > > > http://www.gromacs.org/Documentation/Installation_Instructions > > > > I guess that maybe you need to specify your Openmpi and FFTW installation > > directories using options CMAKE_PREFIX_PATH. > > For example, my Openmpi and FFTW were firstly installed in > > "/home/ucaizk/ComTools/openmpi" and "/home/ucaizk/ComTools/fftw > > Then, I installed gromacs with command lines below: > wget ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.1.tar.gz > > $ tar -xzvf gromacs-4.6.1.tar.gz > > $ mkdir build > > $ cd build > Done > > $ > > > CMAKE_PREFIX_PATH=/home/ucaizk/ComTools/openmpi:/home/ucaizk/ComTools/fftw > export CMAKE_PREFIX_PATH=/opt/mpi (I use an option below to download and > install the fftw by gromacs) > > cmake -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX > > =/home/ucaizk/ComTools/gromacs ../gromacs-4.6.1 > cmake .. -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX=/backup/sicnas/gromacs > -DGMX_BUILD_OWN_FFTW=ON (I want to install on /backup/sicnas/gromacs, > which is shared by nodes) > > $ make > > $ make install > done! > > And finally get the following error: > /backup/sicnas/gromacs/bin/mdrun_mpi: error while loading shared > libraries: libblas.so.3: cannot open shared object file: No such file or > directory > > > When above was done, cd to your home directory and add one line to > > ".bashrc" file > > export PATH=$PATH:/home/ucaizk/ComTools/gromacs/bin > > > > restart bash shell, then all are done! > > > > Hope it helps! > > > > Zhikun > > > > > > On Fri, Apr 5, 2013 at 11:12 PM, 라지브간디 <ra...@kaist.ac.kr> wrote: > > > >> Dear gmx users, > >> > >> > >> I could able to install gmx4.6.1 without MPI option in my cluster, > whereas > >> the MPI fails to install and gives the following error ( used command > line > >> cmake .. -DGMX_MPI=ON -DGMX_BUILD_OWN_FFTW=ON ) > >> > >> > >> CMake Error at cmake/gmxManageMPI.cmake:161 (message): > >> MPI support requested, but no MPI compiler found. Either set the > >> C-compiler (CMAKE_C_COMPILER) to the MPI compiler (often called > mpicc), > >> or > >> set the variables reported missing for MPI_C above. > >> Call Stack (most recent call first): > >> CMakeLists.txt:494 (include) > >> > >> > >> > >> > >> I have also installed openmpi 1.5 version. which mpirun shows > >> /usr/bin/mpirun. > >> It seems openmpi installed in /usr/bin/openmpi/ > >> > >> > >> I dont know how to do link this cmake. > >> > >> > >> Please need some suggestion. Thanks. > >> > >> -- > >> gmx-users mailing list gmx-users@gromacs.org > >> http://lists.gromacs.org/mailman/listinfo/gmx-users > >> * Please search the archive at > >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > >> * Please don't post (un)subscribe requests to the list. Use the > >> www interface or send it to gmx-users-requ...@gromacs.org. > >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > >> > > > -- > Hrachya Astsatryan > Head of HPC Laboratory, > Institute for Informatics and Automation Problems, > National Academy of Sciences of the Republic of Armenia > 1, P. Sevak str., Yerevan 0014, Armenia > t: 374 10 284780 > f: 374 10 285812 > e: hr...@sci.am > skype: tighra > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
